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2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide

C22H30F3N5O — CID 118714497

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESN#Cc1cc(N2CCN(CCC3CCC(NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)
InChIKeyBRSSDADOMRUGSY-UHFFFAOYSA-N
MW437.51 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide

2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 118714497) has the molecular formula C22H30F3N5O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID118714497
Molecular FormulaC22H30F3N5O
Molecular Weight437.51 g/mol
Exact Mass437.24
IUPAC Name2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESN#Cc1cc(N2CCN(CCC3CCC(NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)
InChIKeyBRSSDADOMRUGSY-UHFFFAOYSA-N
XLogP2.72
TPSA85.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide (CID 118714497) is 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide is N#Cc1cc(N2CCN(CCC3CCC(NC(=O)CN)CC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is BRSSDADOMRUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31).
What are the key properties of 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide?
2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 437.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-[4-[3-cyano-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 118714497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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